data_global
_chemical_name_mineral 'Diopside'
loop_
_publ_author_name
'Levien L'
'Prewitt C T'
_journal_name_full 'American Mineralogist'
_journal_volume 66 
_journal_year 1981
_journal_page_first 315
_journal_page_last 323
_publ_section_title
;
 High-pressure structural study of diopside
 P = 35.2 kbar
 pyroxene
;
_database_code_amcsd 0000813
_chemical_formula_sum 'Si2 Mg Ca O6'
_cell_length_a 9.656
_cell_length_b 8.813
_cell_length_c 5.2026
_cell_angle_alpha 90
_cell_angle_beta 105.49
_cell_angle_gamma 90
_cell_volume 426.651
_exptl_crystal_density_diffrn      3.371
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.28643   0.09420   0.22820
Mg1   0.00000   0.90900   0.25000
Ca2   0.00000   0.30333   0.25000
O1   0.11530   0.08790   0.14220
O2   0.36080   0.25290   0.31960
O3   0.35250   0.02020   0.99070
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.00351 0.00512 0.00369 -0.00046 0.00095 -0.00020
Mg1 0.00395 0.00472 0.00357 0.00000 0.00095 0.00000
Ca2 0.00877 0.00630 0.00560 0.00000 0.00024 0.00000
O1 0.00614 0.00630 0.00522 0.00000 0.00095 0.00000
O2 0.00658 0.00630 0.00739 -0.00208 0.00142 -0.00090
O3 0.00702 0.00787 0.00522 0.00000 0.00260 -0.00201